3-(aminomethyl)-N-[3-(diethylamino)propyl]pentanamide

C13H29N3O — CID 81070117

IUPAC3-(aminomethyl)-N-[3-(diethylamino)propyl]pentanamide
SMILESCCC(CN)CC(=O)NCCCN(CC)CC
InChIInChI=1S/C13H29N3O/c1-4-12(11-14)10-13(17)15-8-7-9-16(5-2)6-3/h12H,4-11,14H2,1-3H3,(H,15,17)
InChIKeyUTMXWYYFEUEFQS-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.21
Rot. Bonds10

About 3-(aminomethyl)-N-[3-(diethylamino)propyl]pentanamide

3-(aminomethyl)-N-[3-(diethylamino)propyl]pentanamide (PubChem CID 81070117) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[3-(diethylamino)propyl]pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[3-(diethylamino)propyl]pentanamide
PubChem CID81070117
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name3-(aminomethyl)-N-[3-(diethylamino)propyl]pentanamide
SMILESCCC(CN)CC(=O)NCCCN(CC)CC
InChIInChI=1S/C13H29N3O/c1-4-12(11-14)10-13(17)15-8-7-9-16(5-2)6-3/h12H,4-11,14H2,1-3H3,(H,15,17)
InChIKeyUTMXWYYFEUEFQS-UHFFFAOYSA-N
XLogP1.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(aminomethyl)-N-butylpentanamide
CID 81071551
3-(aminomethyl)-N-(4-amino-4-oxobutyl)pentanamide
CID 81075818
3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide
CID 81070103
3-(aminomethyl)-N-(7-methyloctyl)pentanamide
CID 81086572
3-(aminomethyl)-N-(4-methoxybutyl)pentanamide
CID 81087341
3-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]pentanamide
CID 114134084
3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]pentanamide
CID 83110778
3-(aminomethyl)-N-(5-hydroxy-4-methylpentyl)pentanamide
CID 106161224
3-[3-(aminomethyl)pentanoylamino]propanoic acid
CID 81086548
4-[3-(aminomethyl)pentanoylamino]-2-hydroxybutanoic acid
CID 107836045
(2S)-2-amino-N-[3-(diethylamino)propyl]butanamide
CID 79025244
3-(aminomethyl)-N-(2-ethoxyethyl)pentanamide
CID 81071498

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[3-(diethylamino)propyl]pentanamide?
The IUPAC name of 3-(aminomethyl)-N-[3-(diethylamino)propyl]pentanamide (CID 81070117) is 3-(aminomethyl)-N-[3-(diethylamino)propyl]pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[3-(diethylamino)propyl]pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[3-(diethylamino)propyl]pentanamide is CCC(CN)CC(=O)NCCCN(CC)CC.
What is the InChIKey of 3-(aminomethyl)-N-[3-(diethylamino)propyl]pentanamide?
The InChIKey is UTMXWYYFEUEFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-4-12(11-14)10-13(17)15-8-7-9-16(5-2)6-3/h12H,4-11,14H2,1-3H3,(H,15,17).
What are the key properties of 3-(aminomethyl)-N-[3-(diethylamino)propyl]pentanamide?
3-(aminomethyl)-N-[3-(diethylamino)propyl]pentanamide has a molecular weight of 243.39 g/mol, XLogP of 1.21, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[3-(diethylamino)propyl]pentanamide is sourced from PubChem (CID 81070117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).